Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “surface complexation modeling”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A molecular conveyor belt-associated protein controls the rotational direction of the bacterial type 9 secretion system

ABSTRACT Many bacteria utilize the type 9 secretion system (T9SS) for gliding motility, surface colonization, and pathogenesis. This dual-function motor supports both gliding motility and protein secretion, where rotation of the T9SS plays a central role. Fueled by the energy of the stored proton motive force and transmitted through the torque of membrane-anchored stator units, the rotary T9SS propels an adhesin-coated conveyor belt along the bacterial outer membrane like a molecular snowmobile, thereby enabling gliding motion. However, the mechanisms controlling the rotational direction and gliding motility of T9SS remain elusive. Shedding light on this mechanism, we find that in the gliding bacteriumFlavobacterium johnsoniae, deletion of the C-terminus of the conveyor belt-associated protein GldJ controls and, in fact, reverses the rotational direction of T9SS from counterclockwise (CCW) to clockwise (CW). This suggests that the interface between the conveyor belt-associated protein GldJ and the T9SS ring protein GldK plays an important role in controlling the directionality of T9SS, potentially by modulating its interaction with the stator complex GldLM, which drives motor rotation. Combined with MD simulation of the T9SS stator units GldLM, we suggest a “tri-component gearset” model where GldJ controls the rotational direction of its driver, the T9SS, thus providing adaptive sensory feedback to influence the motility of the gliding bacterium. IMPORTANCE The type 9 secretion system (T9SS) is fundamental to bacterial gliding motility, pathogenesis, and surface colonization. Our findings reveal that the C-terminal region of the conveyor belt-associated protein GldJ functions as a molecular switch which is capable of reversing the rotational direction of T9SS. Through the coordinated actions of the T9SS stator units (akin to a driving motor), the GldK ring (the gear that converts rotational energy into linear movement), and GldJ, this machinery forms a smart conveyor belt system reminiscent of flexible or cognitive mechanical conveyors. Such advanced conveyors can alter their direction to adapt to shifting demands. Here, we show that the bacterial T9SS similarly adjusts its rotational bias based on feedback from the conveyor belt-associated protein GldJ. This dual-role feedback mechanism underscores an evolved, controllable biological snowmobile, offering new avenues for studying how bacteria fine-tune motility in dynamic environments.

Microbiology↗
NASA NTRS2007

Space Plasma Ion Processing of the Lunar Soil: Modeling of Radiation-Damaged Rim Widths on Lunar Grains

Chemically and microstructurally complex altered rims around grains in the finest size fraction (<20 micron) of the lunar regolith are the result of multi-stage processes involving both solar ion radiation damage and nanoscale deposition of impact or sputter-derived vapors. The formation of the rims is an important part of the space weathering process, and is closely linked to key changes in optical reflectance and other bulk properties of the lunar surface. Recent application of field-emission scanning transmission electron microscope techniques, including energy dispersive X-ray spectral imaging, is making it easier to unravel the "nano-stratigraphy" of grain rims, and to delineate the portions of rims that represent Radiation-Amorphized (RA) host grain from overlying amorphous material that represents vapor/sputter deposits. For the portion of rims formed by host grain amorphization (henceforth called RA rims), we have been investigating the feasibility of using Monte Carlo-type ion-atom collision models, combined with experimental ion irradiation data, to derive predictive numerical models linking the width of RA rims to the grain s integrated solar ion radiation exposure time.

Chamberlin, S.↗
NASA NTRSDate not supplied

Steady Surface Pressure Measurement via the Lifetime Method With High-Speed Cameras in NASA's Unitary Plan Wind Tunnel

High spatial resolution measurement of steady surface pressure via pressure-sensitive paint at NASA Ames has traditionally relied on specialized cameras equipped to accumulate charge over multiple exposures, whereas measurement of the fluctuating component of pressure uses an altogether separate set of high-speed cameras. To reduce complexity of installation, data acquisition, and processing, we have implemented methods to use a single set of commercial off-the-shelf cameras to produce both steady and unsteady pressure measurements. Both imaging systems were installed in the 11-by 11-foot NASA Ames Unitary Plan Wind Tunnel and acquired images of a scaled model of the Space Launch System Block 1B Crew and Cargo configurations over a variety of flow conditions. This work focuses on methods for data acquisition, processing, and calibration to produce steady-state pressure estimates on the surface of the wind tunnel model based on the lifetime method. It will then compare the steady solutions produced by the legacy and high-speed imaging systems.

Pressure Sensitive Paint↗
DOE OSTI2026

Non-ideal stoichiometry and thermochemistry of aqueous iridium oxide nanoparticles in proton-coupled electron transfer and oxygen-atom transfer

Reported here are reactions of aqueous colloidal IrO x nanoparticles (NPs) with proton-coupled electron transfer (PCET) and oxygen-atom transfer (OAT) organic reagents, determining the reaction stoichiometries and thermochemistry. IrO x NPs have attracted much attention for their high electrocatalytic activity, but understanding of their fundamental reaction chemistry is limited. This IrO x NP model system is simple, with UV-vis titrations demonstrating reversible interconversion between predominantly Ir IV and predominantly Ir III NPs. This simplicity allows studies that reveal their complex non-idealities. The NP redox chemistry has a “super-Nernstian” stoichiometry of ∼1.3H + per 1e − transferred during both PCET and OAT reactions, as measured with electrochemistry and chemical methods. Spectroelectrochemistry revealed a broad distribution of surface IrO x –H bond dissociation free energies (BDFEs), becoming weaker as more H is added. Such variation in binding strengths—a non-ideal binding isotherm—is common for surface adsorbates. For IrO x , the variation of BDFE(IrO–H)s is fit well to a Frumkin isotherm with a width of 6.5 kcal mol −1 . For OAT from the reactive oxygen atoms of IrO x NPs, bracketing experiments gave 93 ± 24 kcal mol −1 for the average BDFE(O x Ir–O), with a predicted spread much larger than that for the BDFE(IrO–H). Taken together, the results show the importance of non-ideal stoichiometry and thermochemistry for IrO x NPs, and they open a path to more complete models to understand catalytic redox reactions at such surfaces.

Iridium Oxide Nanoparticles (NPs)↗
NASA NTRS2019

Satellite Mapping of PM2.5 Episodes in the Wintertime San Joaquin Valley: A "Static" Model Using Column Water Vapor

The use of satellite Aerosol Optical Thickness (AOT) from imaging spectrometers has been successful in quantifying and mapping high PM2.5 (particulate matter mass <2.5µm diameter) episodes for pollution abatement and health studies. However, some regions have high PM2.5 but poor estimation success. The challenges in using Aerosol Optical Thickness (AOT) from imaging spectrometers to characterize PM2.5 worldwide was especially evident in the wintertime San Joaquin Valley (SJV). The SJV's attendant difficulties of high-albedo surfaces and very shallow, variable vertical mixing also occur in other significantly polluted regions around the world. We report on more accurate PM2.5 maps for the whole-winter period in the SJV, Nov 14, 2012?Dec 11, 2013. Intensive measurements by including NASA aircraft were made for several weeks in that winter, the DISCOVER-AQ California mission.We found success with a relatively simple method based on calibration and checking with surface monitors and a characterization of vertical mixing, and incorporating specific understandings of the region's climatology. We estimate PM2.5 to within ~7µgm?3 RMSE and with R values of ~0.9, based on remotely sensed MAIAC (Multi-Angle Implementation of Atmospheric Correction) observations, and that certain further work will improve that accuracy. Mapping is at 1km resolution. This allows a time sequence of mapped aerosols at 1km for cloud-free days. We describe our technique as a "static estimation". Estimation procedures like this one, not dependent on well-mapped source strengths or on transport error, should help full source-driven simulations by deconstructing processes. They also provide a rapid method to create a long-term climatology.Essential features of the technique are (a) daily calibration of the AOT to PM2.5 using available surface monitors, and (b) characterization of mixed-layer dilution using column water vapor (CWV, otherwise "precipitable water"). We noted that on multi-day timescales both water vapor and particles share near-surface sources and both fall to very low values with altitude; indeed, both are largely removed by precipitation. The existence of layers of H2O or aerosol not within the mixed layer adds complexity, but mixed-effects statistical regression captures essential proportionality of PM2.5 and the ratio variable (AOT/CWV). Accuracy is much higher than previous statistical models, and can be extended to the whole Aqua-satellite data record. The maps and time-series we show suggest a repeated pattern for large valleys like the SJV ? progressive stabilization of the mixing height after frontal passages: PM2.5 is somewhat more determined by day-by-day changes in mixing than it is by the progressive accumulation of pollutants (revealed as increasing AOT).

Chatfield, Robert B.↗
DOE OSTI2021

Nanoscale Turing patterns in a bismuth monolayer

Turing’s reaction–diffusion theory of morphogenesis has been very successful for understanding macroscopic patterns within complex objects ranging from biological systems to sand dunes. However, Turing patterns on microscopic length scales are extremely rare. Here we show that a strained atomic bismuth monolayer assembled on the surface of NbSe 2 —and subject to interatomic interactions and kinetics—displays Turing patterns. Our reaction–diffusion model produces stripe patterns with a period of five atoms (approximately 2 nm) and domain walls with Y-shaped junctions that bear a striking resemblance to what has been experimentally observed. Our work establishes that Turing patterns can occur at the atomic scale in a hard condensed-matter setting.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Interactions Between Convective Storms and Their Environment

The ways in which intense convective storms interact with their environment are considered for a number of specific severe storm situations. A physical model of subcloud wind fields and vertical wind profiles was developed to explain the often observed intensification of convective storms that move along or across thermal boundaries. A number of special, unusually dense, data sets were used to substantiate features of the model. GOES imagery was used in conjunction with objectively analyzed surface wind data to develop a nowcast technique that might be used to identify specific storm cells likely to become tornadic. It was shown that circulations associated with organized meso-alpha and meso-beta scale storm complexes may, on occasion, strongly modify tropospheric thermodynamic patterns and flow fields.

Maddox, R. A.↗
NASA NTRS1986

Aerodynamic performance of two fifteen-percent-scale wind-tunnel drive fan designs

An experimental and analytical investigation of two fan blade designs was conducted. The fan blades tested were 15 percent scale models of the blades used in the National Full Scale Aerodynamic Complex fan drive at NASA Ames Research Center. The fan blades were composed of NACA-65 and modified NACA-65-series airfoil design sections. The blades with modified 65-series sections incorporated increased thickness on the upper surface, between the leading edge and the one-half chord position. Twist and taper were the same for both blade designs. The fan blades with modified 65-series sections were found to have an increase in stall margin when they were compared with the unmodified blades. The experimental performance data agreed favorably with theoretical calculations.

Signor, D. B.↗
NASA NTRS1987

Forbidden coronal iron-like emission in the Puppis A shock front - The effect of inhomogeneities

CCD images of the shock front at the eastern rim of Pup A, obtained in the forbidden lines of Fe X (6374 A) and Fe XIV (5303 A), are reported and compared to Einstein high-resolution-image soft X-ray data. The observed part of the remnant is complex, containing density irregularities. Optical and X-ray data are consistent in showing a nearly flat gradient of ionization temperature behind the shock. To determine conditions in the shock, scans of surface brightness across it in the optical lines were compared to surface brightnesses predicted by idealized Sedov models. It was not possible to match both the red and green line scans by a simple, single-component model, and the failure is ascribed to the presence of the density inhomogeneities. This result has important implications for the determination of SNR shock-front models by fitting X-ray data with Sedov models.

Teske, Richard G.↗
NASA NTRS1992

Bypass transition in compressible boundary layers

Transition to turbulence in aerospace applications usually occurs in a strongly disturbed environment. For instance, the effects of free-stream turbulence, roughness and obstacles in the boundary layer strongly influence transition. Proper understanding of the mechanisms leading to transition is crucial in the design of aircraft wings and gas turbine blades, because lift, drag and heat transfer strongly depend on the state of the boundary layer, laminar or turbulent. Unfortunately, most of the transition research, both theoretical and experimental, has focused on natural transition. Many practical flows, however, defy any theoretical analysis and are extremely difficult to measure. Morkovin introduced in his review paper the concept of bypass transition as those forms of transition which bypass the known mechanisms of linear and non-linear transition theories and are currently not understood by experiments. In an effort to better understand the mechanisms leading to transition in a disturbed environment, experiments are conducted studying simpler cases, viz. the effects of free stream turbulence on transition on a flat plate. It turns out that these experiments are very difficult to conduct, because generation of free stream turbulence with sufficiently high fluctuation levels and reasonable homogeneity is non trivial. For a discussion see Morkovin. Serious problems also appear due to the fact that at high Reynolds numbers the boundary layers are very thin, especially in the nose region of the plate where the transition occurs, which makes the use of very small probes necessary. The effects of free-stream turbulence on transition are the subject of this research and are especially important in a gas turbine environment, where turbulence intensities are measured between 5 and 20 percent, Wang et al. Due to the fact that the Reynolds number for turbine blades is considerably lower than for aircraft wings, generally a larger portion of the blade will be in a laminar transitional state. The effects of large free stream turbulence in compressible boundary layers at Mach numbers are examined both in the subsonic and transonic regime using direct numerical simulations. The flow is computed over a flat plate and curved surface. while many applications operate in the transonic regime. Due the nature of their numerical scheme, a non-conservation formulation of the Navier-Stokes equations, it is a non-trivial extension to compute flow fields in the transonic regime. This project aims at better understanding the effects of large free-stream turbulence in compressible boundary layers at mach number both in the subsonic and transonic regime using direct numerical simulations. The present project aims at computing the flow over a flat plate and curved surface. This research will provide data which can be used to clarify mechanisms leading to transition in an environment with high free stream turbulence. This information is useful for the development of turbulence models, which are of great importance for CFD applications, and are currently unreliable for more complex flows, such as transitional flows.

Vandervegt, J. J.↗
NASA NTRS2000

NASA's Design and Development of a Field Goniometer Instrument Using Solid Works

With NASA suffering severe funding cutbacks, engineers at NASA are required to produce state-of-the-art hardware with limited personnel and financial resources. In light of these constraints, the new NASA mandate is to build better, faster and cheaper. In April of 1998, Stennis Space Center's Commercial Remote Sensing Program contracted to the Systems Engineering Division at NASA Ames Research Center to develop a device known as a Field Goniometer. A Field Goniometer is a device that measures bi-directional reflectance of a target, such as vegetation, relative to the sun and an imaging system in an aircraft or spacecraft. The device is able to provide a spectral fingerprint of the surface it is measuring in wavelengths from 350nm-2500nm using a hyperspectral imager. To accomplish this project, several obstacles had to be overcome. First, the design had to be completed in less than four months. Second, due to the complexity of the design, the use of solid modeling was highly desirable but most of the group's solid modelers were assigned to other jobs. Third, the amount of funding available from the customer was one half to one third the funding typically expended for a job of this nature. Our choices for this project were to design with standard 2-D CAD systems currently used in-house or train additional engineers on our existing solids package or purchase a new solid model package. The use of a 2D CAD system was very undesirable due to the complexity of the design. Using our existing solids modeler would have required a learning curve for our engineers that would be incompatible with our schedule. Prior to this project, a member of our design group researched the solid modeling industry and decided to purchase SolidWorks. After examining the product for ease of use, modeling capability, training time required and cost, we decided our highest probability of success would be to design with Solidworks. During the design phase, our fabrication group was able to provide input at the very early stages, which added significant benefit to the final product. Fabrication cost and schedule savings have been realized by having complex part geometries translated directly from the SolidWorks design models to Surfcam and other computer-aided manufacturing (CAM) software. This direct model translation capability optimized the fabrication processes. The end result was that we were able to successfully complete the project on time and on budget. Other advantages of using SolidWorks, as cited by the design team, include a rapid negotiation of the initial learning curve, the ability to develop solid model hardware prototypes (used to communicate the design intent to both the customer and the fabricator), and the ability to work as a team collaborating on a large, complex model. These types of tools and efforts represent our response to NASA's challenge to produce higher quality products within shorter design and fabrication times.

Turner, Mark↗
NASA NTRS2001

Applicability of the single equivalent point dipole model to represent a spatially distributed bio-electrical source

Although the single equivalent point dipole model has been used to represent well-localised bio-electrical sources, in realistic situations the source is distributed. Consequently, position estimates of point dipoles determined by inverse algorithms suffer from systematic error due to the non-exact applicability of the inverse model. In realistic situations, this systematic error cannot be avoided, a limitation that is independent of the complexity of the torso model used. This study quantitatively investigates the intrinsic limitations in the assignment of a location to the equivalent dipole due to distributed electrical source. To simulate arrhythmic activity in the heart, a model of a wave of depolarisation spreading from a focal source over the surface of a spherical shell is used. The activity is represented by a sequence of concentric belt sources (obtained by slicing the shell with a sequence of parallel plane pairs), with constant dipole moment per unit length (circumferentially) directed parallel to the propagation direction. The distributed source is represented by N dipoles at equal arc lengths along the belt. The sum of the dipole potentials is calculated at predefined electrode locations. The inverse problem involves finding a single equivalent point dipole that best reproduces the electrode potentials due to the distributed source. The inverse problem is implemented by minimising the chi2 per degree of freedom. It is found that the trajectory traced by the equivalent dipole is sensitive to the location of the spherical shell relative to the fixed electrodes. It is shown that this trajectory does not coincide with the sequence of geometrical centres of the consecutive belt sources. For distributed sources within a bounded spherical medium, displaced from the sphere's centre by 40% of the sphere's radius, it is found that the error in the equivalent dipole location varies from 3 to 20% for sources with size between 5 and 50% of the sphere's radius. Finally, a method is devised to obtain the size of the distributed source during the cardiac cycle.

NASA Discipline Cardiopulmonary↗
NASA NTRS2010

CBSIT 2009: Airborne Validation of Envisat Radar Altimetry and In Situ Ice Camp Measurements Over Arctic Sea Ice

The past few years have seen the emergence of satellite altimetry as valuable tool for taking quantitative sea ice monitoring beyond the traditional surface extent measurements and into estimates of sea ice thickness and volume, parameters that arc fundamental to improved understanding of polar dynamics and climate modeling. Several studies have now demonstrated the use of both microwave (ERS, Envisat/RA-2) and laser (ICESat/GLAS) satellite altimeters for determining sea ice thickness. The complexity of polar environments, however, continues to make sea ice thickness determination a complicated remote sensing task and validation studies remain essential for successful monitoring of sea ice hy satellites. One such validation effort, the Arctic Aircraft Altimeter (AAA) campaign of2006. included underflights of Envisat and ICESat north of the Canadian Archipelago using NASA's P-3 aircraft. This campaign compared Envisat and ICESat sea ice elevation measurements with high-resolution airborne elevation measurements, revealing the impact of refrozen leads on radar altimetry and ice drift on laser altimetry. Continuing this research and validation effort, the Canada Basin Sea Ice Thickness (CBSIT) experiment was completed in April 2009. CBSIT was conducted by NOAA. and NASA as part of NASA's Operation Ice Bridge, a gap-filling mission intended to supplement sea and land ice monitoring until the launch of NASA's ICESat-2 mission. CBIST was flown on the NASA P-3, which was equipped with a scanning laser altimeter, a Ku-band snow radar, and un updated nadir looking photo-imaging system. The CB5IT campaign consisted of two flights: an under flight of Envisat along a 1000 km track similar to that flown in 2006, and a flight through the Nares Strait up to the Lincoln Sea that included an overflight of the Danish GreenArc Ice Camp off the coast of northern Greenland. We present an examination of data collected during this campaign, comparing airborne laser altimeter measurements with (1) Envisat RA-2 returns retracked optimally for sea ice and (2) in situ measurements of sea ice thickness and snow depth gathered from ice camp surveys. Particular attention is given to lead identification and classification using the continuous photo-imaging system along the Envisat underflight as well as the performance of the snow radar over the ice camp survey lines.

Connor, Laurence↗
NASA NTRS2013

Design and Execution of the Hypersonic Inflatable Aerodynamic Decelerator Large-Article Wind Tunnel Experiment

The testing of 3- and 6-meter diameter Hypersonic Inflatable Aerodynamic Decelerator (HIAD) test articles was completed in the National Full-Scale Aerodynamics Complex 40 ft x 80 ft Wind Tunnel test section. Both models were stacked tori, constructed as 60 degree half-angle sphere cones. The 3-meter HIAD was tested in two configurations. The first 3-meter configuration utilized an instrumented flexible aerodynamic skin covering the inflatable aeroshell surface, while the second configuration employed a flight-like flexible thermal protection system. The 6-meter HIAD was tested in two structural configurations (with and without an aft-mounted stiffening torus near the shoulder), both utilizing an instrumented aerodynamic skin.

Cassell, Alan M.↗
NASA NTRS2013

Shape, Density, and Geology of the Nucleus of Comet 103P/Hartley 2

Data from the Extrasolar Planet Observation and Deep Impact Extended Investigation (EPOXI) mission show Comet 103P/Hartley 2 is a bi-lobed, elongated, nearly axially symmetric comet 2.33 km in length. Surface features are primarily small mounds <40 m across, irregularly-shaped smooth areas on the two lobes, and a smooth but variegated region forming a “waist” between the two lobes. Assuming parts of the comet body approach the shape of an equipotential surface, the mean density of Hartley 2 is modeled to be 200–400 kg /cubic m.. Such a mean density suggests mass loss per orbit of >1%. The shape may be the evolutionary product of insolation, sublimation, and temporary deposition of materials controlled by the object’s complex rotation.

Extrasolar↗
NASA NTRS2001

Long-Term Durability of a Matrix for High-Temperature Composites Predicted

Polymer matrix composites (PMC's) are being increasingly used in applications where they are exposed for long durations to harsh environments such as elevated temperatures, moisture, oils and solvents, and thermal cycling. The exposure to these environments leads to the degradation of structures made from these materials. This also affects the useful lifetimes of these structures. Some of the more prominent aerospace applications of polymer matrix composites include engine supports and cowlings, reusable launch vehicle parts, radomes, thrust-vectoring flaps, and the thermal insulation of rocket motors. This demand has led to efforts to develop lightweight, high-strength, high-modulus materials that have upper-use temperatures over 316 C. A cooperative program involving two grants to the Massachusetts Institute of Technology and in-house work at the NASA Glenn Research Center was conducted to identify the mechanisms and the measurement of mechanical and physical properties that are necessary to formulate a mechanism-based model for predicting the lifetime of high-temperature polymer matrix composites. The polymer that was studied was PMR-15 polyimide, a leading matrix resin for use in high-temperature-resistant aerospace composite structures such as propulsion systems. The temperature range that was studied was from 125 to 316 C. The diffusion behavior of PMR-15 neat resin was characterized and modeled. Thermogravimetric analysis (TGA) was also conducted in nitrogen, oxygen, and air to provide quantitative information on thermal and oxidative degradation reactions. A new low-cost technique was developed to collect chemical degradation data for isothermal tests lasting up to 4000 hr in duration. In the temperature range studied, results indicate complex behavior that was not observed by previous TGA tests, including the presence of weight-gain reactions. These were found to be significant in the initial periods of aging from 125 to 225 C. Two types of weight loss reactions dominated at aging temperatures above 225 C. One was concentrated at the surface of the polymer and was very active at temperatures above 225 C. The second was observed to dominate in the latter stages of aging at temperatures below 260 C. This three-reaction model satisfactorily explains past findings that the degradation mechanism of PMR-15 appears to change around 316 C. It also indicates that the second weight gain mechanism is a significant factor at temperatures below 204 C. On the basis of these results, a predictive model was developed for the thermal degradation of PMR-15 at 316 C. A comparison of data generated by this model with actual experimental data is shown in the following figure.

Bowles, Kenneth J.↗
DOE OSTI2021

Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

In this work, we employed a combined density functional theory and kinetic Monte Carlo approach in order to investigate the nanoscale behavior of lithium stripping and plating on lithium-copper nanoalloys. Density functional theory calculations were used to develop an atom-by-atom understanding of the nucleation behavior of lithium on copper surfaces with different surface morphologies. We found that nanometric pits resulted in significantly more favorable lithium deposition when compared to pristine or lightly-defective Cu surfaces, which is in agreement with previous experimental studies. We then used density functional theory and constrained ab initio molecular dynamics to develop interaction and reaction parameters for a larger-scale kinetic Monte Carlo model in order to provide insight into the stripping and plating behavior of nanostructured Li-Cu nanoalloy anodes. Substantial losses in capacity and strong indications of morphological change were observed for a wide range of Cu:Li ratios over 100 cycles. We observed a complex relationship between the nanoparticle composition and the properties of the formed solid-electrolyte interphase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

New Particle Formation and Growth Dynamics for α-Pinene Ozonolysis in a Smog Chamber and Implications for Ambient Environments

Secondary organic aerosol (SOA) plays an important role in the Earth’s energy balance and air quality. Understanding the formation of SOA accompanying the oxidation of volatile organic compounds (VOCs) remains incomplete because of the complex reactions and partitioning mechanisms. In this study, we investigated new particle formation (NPF) of SOA derived from α-pinene ozonolysis in the Harvard Environmental Chamber using the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) with the condensing species as two products, one of lower volatility (LVOC, 0.01 μg m –3 ) and one of higher volatility (SVOC, 1.0 μg m –3 ). A module for the classical nucleation theory was included. The surface tension (σ), bulk diffusivity (D b ), and mass accommodation coefficient (α) were varied until convergence between the simulated and observed particle number size distributions. α of LVOC was constrained as 0.03–0.1 with the reported σ of α-pinene-ozonolysis-derived SOA and Tolman surface correction (~23.0–27.5 mN m –1 ) and Db from 10 –15.5 to >10 –11 cm 2 s –1 . The observed particle number size distribution of α-pinene ozonolysis was well-simulated to derive the physical parameters, including σ, Db, and α, suggesting the possible application to group the reported complex oxidation products and further application for other atmospheric-related oxidations for quantifying NPF.

54 ENVIRONMENTAL SCIENCES↗